(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine

C13H17ClFNO — CID 171195734

IUPAC(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine
SMILESCCOc1c(F)cc([C@H]2CCCCN2)cc1Cl
InChIInChI=1S/C13H17ClFNO/c1-2-17-13-10(14)7-9(8-11(13)15)12-5-3-4-6-16-12/h7-8,12,16H,2-6H2,1H3/t12-/m1/s1
InChIKeyAEOHAODUCNLYNH-GFCCVEGCSA-N
MW257.74 g/mol
LogP3.69
Rot. Bonds3

About (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine

(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine (PubChem CID 171195734) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine
PubChem CID171195734
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine
SMILESCCOc1c(F)cc([C@H]2CCCCN2)cc1Cl
InChIInChI=1S/C13H17ClFNO/c1-2-17-13-10(14)7-9(8-11(13)15)12-5-3-4-6-16-12/h7-8,12,16H,2-6H2,1H3/t12-/m1/s1
InChIKeyAEOHAODUCNLYNH-GFCCVEGCSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
CID 131358748
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203
(4R)-4-(3-chloro-4-ethoxy-5-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185379
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117445175
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
CID 117452488

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine?
The IUPAC name of (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine (CID 171195734) is (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine.
What is the SMILES notation for (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine?
The canonical SMILES for (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine is CCOc1c(F)cc([C@H]2CCCCN2)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine?
The InChIKey is AEOHAODUCNLYNH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-2-17-13-10(14)7-9(8-11(13)15)12-5-3-4-6-16-12/h7-8,12,16H,2-6H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine?
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine has a molecular weight of 257.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine is sourced from PubChem (CID 171195734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).